2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one

C15H23NO3 — CID 134852786

IUPAC2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one
SMILESC=C(CN1CCOCC1)C1(C(C)=O)CCCCC1=O
InChIInChI=1S/C15H23NO3/c1-12(11-16-7-9-19-10-8-16)15(13(2)17)6-4-3-5-14(15)18/h1,3-11H2,2H3
InChIKeyPYEBEVWNSLVXPJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.59
Rot. Bonds4

About 2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one

2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one (PubChem CID 134852786) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one
PubChem CID134852786
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one
SMILESC=C(CN1CCOCC1)C1(C(C)=O)CCCCC1=O
InChIInChI=1S/C15H23NO3/c1-12(11-16-7-9-19-10-8-16)15(13(2)17)6-4-3-5-14(15)18/h1,3-11H2,2H3
InChIKeyPYEBEVWNSLVXPJ-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5,5-Trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
CID 12543840
1-[1-(Morpholin-4-ylmethyl)cyclohexyl]propan-2-one
CID 118085026
2-Ethyl-6-methylidene-2-(morpholine-4-carbonyl)cyclohexane-1,4-dione
CID 176564538
2-(Morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one chloride
CID 21204649
2-(Morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one
CID 21204650

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one?
The IUPAC name of 2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one (CID 134852786) is 2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one is C=C(CN1CCOCC1)C1(C(C)=O)CCCCC1=O.
What is the InChIKey of 2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one?
The InChIKey is PYEBEVWNSLVXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(11-16-7-9-19-10-8-16)15(13(2)17)6-4-3-5-14(15)18/h1,3-11H2,2H3.
What are the key properties of 2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one?
2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one has a molecular weight of 265.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one is sourced from PubChem (CID 134852786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).